Chemical Properties of 2,4,6-Octatrienal (CAS 17609-31-3)

InChI

InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+

InChI Key

ZUZGMJKUENNLQL-ICDJNDDTSA-N

Formula

C8H10O

SMILES

CC=CC=CC=CC=O

Molecular Weight¹

122.16

CAS

17609-31-3

Other Names

• Octatrienal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.09; 331.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.55300e+01
Coefficient B			7.98320e-01
Coefficient C			-6.55800e-04
Coefficient D			2.24100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.09	J/mol×K	273.00	Calculated Property
Cp,gas	174.74	J/mol×K	353.78	Calculated Property
Cp,gas	205.93	J/mol×K	434.56	Calculated Property
Cp,gas	232.38	J/mol×K	515.33	Calculated Property
Cp,gas	254.79	J/mol×K	596.11	Calculated Property
Cp,gas	273.87	J/mol×K	676.89	Calculated Property
Cp,gas	290.33	J/mol×K	757.67	Calculated Property
Cp,gas	304.89	J/mol×K	838.44	Calculated Property
Cp,gas	318.23	J/mol×K	919.22	Calculated Property
Cp,gas	331.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039000; 0.0001768]	Pa×s	[206.68; 448.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12806e+01
Coefficient B			1.18507e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			206.68
Temperature range, max.			448.83
η	0.0039000	Pa×s	206.68	Calculated Property
η	0.0020148	Pa×s	233.59	Calculated Property
η	0.0011931	Pa×s	260.49	Calculated Property
η	0.0007793	Pa×s	287.40	Calculated Property
η	0.0005475	Pa×s	314.30	Calculated Property
η	0.0004067	Pa×s	341.21	Calculated Property
η	0.0003155	Pa×s	368.11	Calculated Property
η	0.0002534	Pa×s	395.02	Calculated Property
η	0.0002093	Pa×s	421.92	Calculated Property
η	0.0001768	Pa×s	448.83	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Octatrienal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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